Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Pyrazine

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas46.86 ± 0.36kcal/molCcbTjebbes, 1962 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid33.41 ± 0.28kcal/molCcbTjebbes, 1962ALS
Quantity Value Units Method Reference Comment
Deltacliquid-546.25 ± 0.28kcal/molCcbTjebbes, 1962ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
43.0298.Boyd, Comper, et al., 1979crystaline, III phase; T = 295 to 312 K. Data graphically only.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil388.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil388.65KN/AAnderson and Shimanskaya, 1969Uncertainty assigned by TRC = 1. K; TRC
Tboil390.35KN/ALecat, 1947Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus324.KN/ABougeard, LeCalve, et al., 1978Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Tfus320.15KN/ABruhl, 1897Uncertainty assigned by TRC = 1. K; TRC
Tfus334.05KN/ABruhl, 1897Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Deltavap9.68 ± 0.41kcal/molCGCLipkind and Chickos, 2009Based on data from 342. - 373. K. See also Lipkind and Chickos, 2009, 2.; AC
Deltavap13.45 ± 0.11kcal/molCTjebbes, 1962ALS
Deltavap13.5kcal/molN/ATjebbes, 1962DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
388.71.01Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.27 ± 0.02340.EBSteele, Chirico, et al., 2002Based on data from 354. - 426. K.; AC
8.72 ± 0.05380.EBSteele, Chirico, et al., 2002Based on data from 354. - 426. K.; AC
8.15 ± 0.1420.EBSteele, Chirico, et al., 2002Based on data from 354. - 426. K.; AC
9.06352.N/ASakoguchi, Ueoka, et al., 1995Based on data from 332. - 373. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
13.4303.Sakoguchi, Ueoka, et al., 1995Based on data from 288. - 317. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
3.533325.4ACChirico, Knipmeyer, et al., 2003Based on data from 5. - 380. K.; AC
3.095328.2N/ABougeard, Calve, et al., 1978AC

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.232300.6crystaline, IIIcrystaline, IIBoyd, Comper, et al., 1979DH
0.014310.crystaline, IIcrystaline, IBoyd, Comper, et al., 1979DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.770300.6crystaline, IIIcrystaline, IIBoyd, Comper, et al., 1979DH
0.05310.crystaline, IIcrystaline, IBoyd, Comper, et al., 1979DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C4H3N2- + Hydrogen cation = Pyrazine

By formula: C4H3N2- + H+ = C4H4N2

Quantity Value Units Method Reference Comment
Deltar392.6 ± 2.5kcal/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Quantity Value Units Method Reference Comment
Deltar383.50 ± 0.40kcal/molN/AWren, Vogelhuber, et al., 2012gas phase; B
Deltar383.1 ± 2.0kcal/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B

3Hydrogen + Pyrazine = Piperazine

By formula: 3H2 + C4H4N2 = C4H10N2

Quantity Value Units Method Reference Comment
Deltar49.52 ± 0.67kcal/molChydHafelinger and Steinmann, 1977liquid phase; solvent: Acetic acid; ALS

Lithium ion (1+) + Pyrazine = (Lithium ion (1+) bullet Pyrazine)

By formula: Li+ + C4H4N2 = (Li+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar35.6 ± 3.3kcal/molCIDTAmunugama and Rodgers, 2000RCD

Sodium ion (1+) + Pyrazine = (Sodium ion (1+) bullet Pyrazine)

By formula: Na+ + C4H4N2 = (Na+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar25.7 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2000RCD

Potassium ion (1+) + Pyrazine = (Potassium ion (1+) bullet Pyrazine)

By formula: K+ + C4H4N2 = (K+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar16.1 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2000RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C4H4N2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)209.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity202.4kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
>-0.065004ETSNenner and Schultz, 1975Pyrazine. EA estimated as 0.124 eV based on soln phase electrochemical correlations. G3MP2B3 calculations put EA ca. 0 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.0PEPiancastelli, Keller, et al., 1983LBLHLM
9.28 ± 0.01SScheps, Florida, et al., 1972LLK
9.29PEGleiter, Heilbronner, et al., 1972LLK
9.216PEAsbrink, Lindholm, et al., 1970RDSH
9.28 ± 0.05PEEland, 1969RDSH
9.36PEDewar and Worley, 1969RDSH
9.29 ± 0.01PIYencha and El-Sayed, 1968RDSH
9.29 ± 0.03SParkin and Innes, 1965RDSH
9.63PESuffolk, 1974Vertical value; LLK
9.63PEGleiter, Heilbronner, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H2N+15.25 ± 0.10?EIMomigny, Urbain, et al., 1965RDSH
C3H3N+12.81 ± 0.10HCNEIMomigny, Urbain, et al., 1965RDSH
C4H3N2+13.68 ± 0.10HEIMomigny, Urbain, et al., 1965RDSH

De-protonation reactions

C4H3N2- + Hydrogen cation = Pyrazine

By formula: C4H3N2- + H+ = C4H4N2

Quantity Value Units Method Reference Comment
Deltar392.6 ± 2.5kcal/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B
Quantity Value Units Method Reference Comment
Deltar383.50 ± 0.40kcal/molN/AWren, Vogelhuber, et al., 2012gas phase; B
Deltar383.1 ± 2.0kcal/molTDEqMeot-ner and Kafafi, 1988gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho.; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Potassium ion (1+) + Pyrazine = (Potassium ion (1+) bullet Pyrazine)

By formula: K+ + C4H4N2 = (K+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar16.1 ± 0.9kcal/molCIDTAmunugama and Rodgers, 2000 

Lithium ion (1+) + Pyrazine = (Lithium ion (1+) bullet Pyrazine)

By formula: Li+ + C4H4N2 = (Li+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar35.6 ± 3.3kcal/molCIDTAmunugama and Rodgers, 2000 

Sodium ion (1+) + Pyrazine = (Sodium ion (1+) bullet Pyrazine)

By formula: Na+ + C4H4N2 = (Na+ bullet C4H4N2)

Quantity Value Units Method Reference Comment
Deltar25.7 ± 0.8kcal/molCIDTAmunugama and Rodgers, 2000 

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View scan of original (hardcopy) spectrum.

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 5739
Date 1965/11/12
State SOLUTION (10% CCl4 FOR 2.6-7.5, 10% CS2 FOR 7.5-24 MICRON)
Instrument BECKMAN IR-9 (GRATING)
Instrument parameters ORDER CHANGES: 670, 1200, 2000 CM-1
Path length 0.012 CM, 0.012 CM
SPECTRAL CONTAMINATION DUE TO CS2 AROUND 400, 850 AND CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Melting point 53 C
Boiling point 116 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-5010
NIST MS number 230075

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source Halverson and Hirt, 1951
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 10436
Instrument Beckman DU
Melting point 47
Boiling point 115.5-115.8/ 768.4 mm

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101110.722.Golovnya, Kuz'menko, et al., 2000He; Phase thickness: 0.4 «mu»m
CapillaryOV-101110.722.Zhuravleva, 200050. m/0.3 mm/0.4 «mu»m, He
CapillaryOV-101110.722.Golovnya, Kuz'menko, et al., 199950. m/0.3 mm/0.4 «mu»m, He
PackedOV-101130.696.Osmialowski, Halkiewicz, et al., 1985Ar, Chromosorb W HP; Column length: 1. m
PackedPMS-100130.712.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100150.718.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.721.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedDC-200120.715.Reymond, Mueggler-Chavan, et al., 1966Celite; Column length: 4. m
PackedSE-30120.740.Viani, Müggler-Chavan, et al., 1965He, Chromosorb P; Column length: 6. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1704.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1706.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 «mu»m, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryOV-101718.Shibamoto, Kamiya, et al., 1981N2, 1. K/min; Column length: 80. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101718.Shibamoto, Kamiya, et al., 1981N2, 1. K/min; Column length: 80. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M110.1216.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm
CapillaryPEG-40M80.1206.Golovnya, Samusenko, et al., 1987He; Column length: 50. m; Column diameter: 0.3 mm

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1219.Shimoda and Shibamoto, 1990He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C
CapillaryCarbowax 20M1196.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1200.Shibamoto, Kamiya, et al., 1981N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5734.Methven L., Tsoukka M., et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 4. K/min, 260. C @ 10. min
CapillaryBPX-5740.Bredie, Mottram, et al., 200250. m/0.32 mm/0.5 «mu»m, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
CapillaryBPX-5736.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5736.Ames, Guy, et al., 200150. m/0.32 mm/0.5 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryBPX-5750.Ames, Guy, et al., 2001, 250. m/0.32 mm/0.25 «mu»m, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min
CapillaryCP Sil 8 CB739.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-1711.Bartelt, 199730. m/0.32 mm/5. «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 270. C
CapillaryDB-1707.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillaryDB-1707.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillaryDB-1707.DeMilo, Lee, et al., 199630. m/0.248 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min; Tend: 250. C
CapillarySE-30710.Misharina and Golovnya, 199650. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillarySE-30702.Misharina, Golovnya, et al., 199450. m/0.32 mm/0.25 «mu»m, He, 8. K/min; Tstart: 50. C; Tend: 250. C
CapillaryHP-1734.Oh, Hartman, et al., 199250. m/0.32 mm/1.05 «mu»m, He, 2. K/min, 260. C @ 10. min; Tstart: 40. C
CapillaryHP-1706.Zhang, Dorjpalam, et al., 199250. m/0.32 mm/1.5 «mu»m, 2. K/min, 220. C @ 30. min; Tstart: 40. C
CapillaryOV-101713.1Golovnya, Samusenko, et al., 1991He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C
CapillaryOV-101710.3Golovnya, Samusenko, et al., 1991He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C
CapillaryOV-101710.6Golovnya, Samusenko, et al., 1991He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C
CapillaryDB-1710.Izzo and Ho, 199150. m/0.32 mm/1.05 «mu»m, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C
CapillarySE-30703.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.25 «mu»m, 4. K/min; Tstart: 50. C; Tend: 240. C
CapillaryHP-1738.Oh, Shu, et al., 199150. m/0.32 mm/1.05 «mu»m, He, 2. K/min, 260. C @ 10. min; Tstart: 40. C
PackedSE-30713.Peng, Ding, et al., 1988He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryZB-5757.Lu, Hao, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 3C/min => 209C => 20C/min => 280C
CapillaryCP-Sil 8CB-MS739.Elmore, Mottram, et al., 2000, 260. m/0.25 mm/0.25 «mu»m, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C
CapillaryDB-5745.Parker, Hassell, et al., 200050. m/0.32 mm/0.5 «mu»m, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C
CapillaryBPX-5760.Elmore, Mottram, et al., 199950. m/0.32 mm/0.5 «mu»m, He; Program: 0C(5min) => 40C/min => 40C(2min) => 4C/min => 280C
CapillaryBPX-5739.Bredie, Mottram, et al., 199850. m/0.32 mm/0.5 «mu»m, He; Program: OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1209.Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 200730. m/0.25 mm/0.5 «mu»m, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
CapillaryDB-Wax1223.Lopez-Galilea I., Fournier N., et al., 200630. m/0.32 mm/0.5 «mu»m, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C
CapillaryHP-Innowax1228.Adamiec, Rossner, et al., 200130. m/0.25 mm/0.25 «mu»m, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-101213.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryFFAP1253.Ott, Fay, et al., 199730. m/0.25 mm/0.25 «mu»m, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
CapillaryDB-Wax1257.Shimoda, Peralta, et al., 199660. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 50. C; Tend: 230. C
CapillarySupelcowax-101210.Chung and Cadwallader, 199360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillaryCP-WAX 57CB1196.Baltes and Mevissen, 1988He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101209.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillarySupelcowax-101207.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryFFAP1243.Ranau, Kleeberg, et al., 200560. m/0.25 mm/0.5 «mu»m, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min)
CapillaryFFAP1243.Ranau and Steinhart, 200560. m/0.25 mm/0.5 «mu»m, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min)
CapillaryDB-Wax1204.Cantergiani, Brevard, et al., 200130. m/0.25 mm/0.25 «mu»m; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)
CapillarySupelcowax-101204.Baek and Cadwallader, 199660. m/0.25 mm/0.25 «mu»m; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101130.696.Qi, Yang, et al., 2000 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5737.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 1. min, 10. K/min, 220. C @ 15. min
CapillaryDB-5747.Shedid, 201030. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min; Tstart: 50. C; Tend: 220. C
CapillarySPB-5734.Sivadier, Ratel, et al., 200960. m/0.32 mm/1.00 «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 10. min
CapillarySLB-5MS744.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 «mu»m, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C
CapillaryDB-5740.Fadel, Mageed, et al., 2006He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryDB-5738.Fadel, Mageed, et al., 2006, 2He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C
CapillaryHP-5731.6Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillaryMDN-5732.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryHP-5712.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillarySPB-5730.Poligné, Collignan, et al., 200160. m/0.32 mm/1. «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-1701.Chen and Ho, 199960. m/0.32 mm/1. «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-1709.Chen and Ho, 199860. m/0.32 mm/1.0 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-1714.Chen and Ho, 1998, 260. m/0.32 mm/1.0 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-1711.Chen, Wang, et al., 199860. m/0.32 mm/1. «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-1722.Tai and Ho, 199860. m/0.32 mm/1.0 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 280. C
CapillaryDB-1710.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-1723.Lu, Yu, et al., 199760. m/0.32 mm/1. «mu»m, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min
CapillaryDB-1711.Robacker and Bartelt, 199730. m/0.32 mm/0.5 «mu»m, He, 35. C @ 1. min, 10. K/min; Tend: 200. C
CapillaryDB-1706.Buttery and Ling, 1995He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-1716.Yu and Ho, 199560. m/0.25 mm/1. «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1706.Buttery, Stern, et al., 1994He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryDB-1712.Yu, Wu, et al., 199460. m/0.25 mm/1.0 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-1710.Yu, Wu, et al., 199460. m/0.25 mm/1.0 «mu»m, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryOV-101714.Misharina, Golovnya, et al., 1991, 250. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-101718.Misharina, Golovnya, et al., 1991, 250. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-101710.Mihara and Masuda, 1987N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101710.Masuda and Mihara, 1986N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101710.Mihara and Enomoto, 1985N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-101708.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C
CapillarySE-30710.Heydanek and McGorrin, 198140. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5MS729.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 «mu»m, Helium; Program: not specified
CapillaryHP-5 MS672.Wan Aida, Ho, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (2 min) 20 0C/min -> 80 0C (1 min) 20 0C -> 100 0C (1 min) 30 0C/min -> 230 0C (2 min)
CapillaryHP-5730.Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(2min) => 2C/min => 140C => 10C/min => 280C (10min)
CapillaryHP-5MS672.Ho, Wan Aida, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min)
CapillarySE-30739.Vinogradov, 2004Program: not specified
CapillaryRTX-5 MS741.Machiels and Istasse, 200360. m/0.25 mm/0.5 «mu»m, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
CapillaryBPX-5734.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. «mu»m, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryCP Sil 5 CB731.Counet, Callemien, et al., 200250. m/0.32 mm/1.2 «mu»m; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
CapillaryMethyl phenyl siloxane (not specified)731.Poligne, Collignan, et al., 2002Program: not specified
CapillaryDB-5733.Didzbalis and Ho, 200160. m/0.25 mm/0.25 «mu»m, Helium; Program: 35 0C (2 min) 30 0C/min -> 60 0C (1 min) 6 0C/min -> 250 0C (10 min)
CapillaryDB-5731.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 «mu»m, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryOV-101739.Shibamoto, 1987Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.710.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.718.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1201.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 «mu»m, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryFFAP1232.Budryn, Nebesny, et al., 201130. m/0.32 mm/0.50 «mu»m, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
CapillaryDB-Wax1232.Moon and Shibamoto, 201060. m/0.25 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryDB-Wax1231.Moon and Shibamoto, 200960. m/0.25 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryZB-Wax1243.Marin, Pozrl, et al., 200860. m/0.32 mm/0.50 «mu»m, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min
CapillaryDB-Wax1201.Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 200730. m/0.25 mm/0.25 «mu»m, He, 4. K/min, 230. C @ 15. min; Tstart: 50. C
CapillaryFFAP1232.Nebesny, Budryn, et al., 200730. m/0.32 mm/0.5 «mu»m, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
CapillaryDB-Wax1197.Fujioka and Shibamoto, 200660. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 200. C @ 90. min; Tstart: 50. C
CapillaryDB-Wax1217.Osada and Shibamoto, 2006He, 60. C @ 5. min, 2. K/min, 180. C @ 30. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryZB-Wax1208.N/A30. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryDB-Wax1210.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryDB-Wax1214.Tanaka, Yamauchi, et al., 200330. m/0.25 mm/0.25 «mu»m, 30. C @ 1. min, 4. K/min; Tend: 250. C
CapillaryHP-Wax1231.Sanz, Maeztu, et al., 200260. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1231.Maeztu, Sanz, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryHP-Wax1231.Sanz, Ansorena, et al., 200160. m/0.25 mm/0.5 «mu»m, He, 40. C @ 6. min, 3. K/min; Tend: 190. C
CapillaryDB-Wax1207.Buttery, Orts, et al., 199930. C @ 4. min, 2. K/min, 170. C @ 60. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryDB-Wax1241.Iwatsuki, Mizota, et al., 19994. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C
CapillaryDB-Wax1207.Buttery and Ling, 199830. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryPEG-20M1180.Kubota, Nakamoto, et al., 1991N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C
CapillaryDB-Wax1215.Wong and Bernhard, 1988He, 70. C @ 8. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryCarbowax 20M1179.Mihara and Enomoto, 1985N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C
CapillaryCarbowax 20M1206.Liardon and Ledermann, 1980H2, 2. K/min; Column length: 39. m; Column diameter: 0.30 mm; Tstart: 60. C; Tend: 220. C
CapillaryCarbowax 20M1212.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M1214.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1212.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax1194.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 «mu»m, Hydrogen; Program: not specified
CapillaryHP-Innowax1214.Viegas and Bassoli, 200760. m/0.32 mm/0.25 «mu»m, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryHP-Innowax1196.Viegas and Bassoli, 200760. m/0.32 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryInnowax1222.Ito and Mori, 200430. m/0.25 mm/0.50 «mu»m, Helium; Program: 40 0C (2 min) 10 0C/min -> 100 0C 3 0C/min -> 160 0C 5 0C/min -> 260 0C (10 min)
CapillaryCarbowax 20M1194.Vinogradov, 2004Program: not specified
CapillaryCP-Wax 52CB1218.Muresan, Eillebrecht, et al., 200050. m/0.32 mm/1.2 «mu»m; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)
CapillaryDB-Wax1224.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M1179.Mihara and Masuda, 1987Program: not specified
CapillaryCarbowax 20M1194.Shibamoto, 1987Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1196.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tjebbes, 1962
Tjebbes, J., The heats of combustion and formation of the three diazines and their resonance energies, Acta Chem. Scand., 1962, 16, 916-921. [all data]

Boyd, Comper, et al., 1979
Boyd, R.K.; Comper, J.; Ferguson, G., Entropy changes and structural implications for crystalline phases of pyrazine, Can. J. Chem., 1979, 57, 3056-3060. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Anderson and Shimanskaya, 1969
Anderson, A.A.; Shimanskaya, M.V., Gas-Liquid Chromatography of some Aliphatic and Heterocyclic Polyfunctional Amines: II. Solution Thermodyn. of Amines in Fix. Phas., Latv. PSR Zinat. Akad. Vestis, Kim. Ser., 1969, No. 5, 527. [all data]

Lecat, 1947
Lecat, M., Some azeotropes of which one constituant is heterocyclic nitrogen, Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]

Bougeard, LeCalve, et al., 1978
Bougeard, D.; LeCalve, N.; Novak, A.; Bachanh, N., Phase transitions of pyrazine., Mol. Cryst. Liq. Cryst., 1978, 44, 113. [all data]

Bruhl, 1897
Bruhl, J.W., Spectrochemistry of nitrogen containing compounds V, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1897, 22, 373. [all data]

Lipkind and Chickos, 2009
Lipkind, Dmitri; Chickos, James S., An examination of the vaporization enthalpies and vapor pressures of pyrazine, pyrimidine, pyridazine, and 1,3,5-triazine, Struct Chem, 2009, 20, 1, 49-58, https://doi.org/10.1007/s11224-008-9389-5 . [all data]

Lipkind and Chickos, 2009, 2
Lipkind, D.; Chickos, J.S., , Abstract from 38th Great Lakes Regional Meeting of the American Chemical Society, May 13-16, Chicago, IL, 2009, GLRM-275. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Measurements of Vapor Pressure, Heat Capacity, and Density along the Saturation Line for «gamma»-Caprolactam, Pyrazine, 1,2-Propanediol, Triethylene Glycol, Phenyl Acetylene, and Diphenyl Acetylene, J. Chem. Eng. Data, 2002, 47, 4, 689-699, https://doi.org/10.1021/je010085z . [all data]

Sakoguchi, Ueoka, et al., 1995
Sakoguchi, Akihiro; Ueoka, Ryuichi; Kato, Yasuo; Arai, Yasuhiko, Vapor Pressures of Alkylpyridines and Alkylpyrazines., KAGAKU KOGAKU RONBUNSHU, 1995, 21, 1, 219-223, https://doi.org/10.1252/kakoronbunshu.21.219 . [all data]

Chirico, Knipmeyer, et al., 2003
Chirico, R.D.; Knipmeyer, S.E.; Steele, W.V., Heat capacities, enthalpy increments, and derived thermodynamic functions for pyrazine between the temperatures 5K and 380K, The Journal of Chemical Thermodynamics, 2003, 35, 7, 1059-1072, https://doi.org/10.1016/S0021-9614(03)00041-7 . [all data]

Bougeard, Calve, et al., 1978
Bougeard, D.; Calve, N. Le; Novak, A.; Nguyen-ba-chanh, A., Phase Transitions of Pyrazine, GMCL, 1978, 44, 1, 113-123, https://doi.org/10.1080/15421407808083935 . [all data]

Meot-ner and Kafafi, 1988
Meot-ner, M.; Kafafi, S.A., Carbon Acidities of Aromatic Compounds, J. Am. Chem. Soc., 1988, 110, 19, 6297, https://doi.org/10.1021/ja00227a003 . [all data]

Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B., Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine, J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z . [all data]

Wren, Vogelhuber, et al., 2012
Wren, S.W.; Vogelhuber, K.M.; Garver, J.M.; Kato, S.; Sheps, L.; Bierbaum, V.M.; Lineberger, W.C., C-H Bond Strengths and Acidities in Aromatic Systems: Effects of Nitrogen Incorporation in Mono-, Di-, and Triazines, J. Am. Chem. Soc., 2012, 134, 15, 6584-6595, https://doi.org/10.1021/ja209566q . [all data]

Hafelinger and Steinmann, 1977
Hafelinger, G.; Steinmann, L., Heat of hydrogenation of compounds containing isolated and conjugted C=N bouble bonds, Angew. Chem. Int. Ed. Engl., 1977, 16, 47-48. [all data]

Amunugama and Rodgers, 2000
Amunugama, R.; Rodgers, M.T., Absolute Alkali Metal Ion Binding Affinities of Several Azines Determined by Threshold Collision-Induced Dissociation and Ab Initio Theory, Int. J. Mass Spectrom., 2000, 195/196, 439, https://doi.org/10.1016/S1387-3806(99)00145-1 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Nenner and Schultz, 1975
Nenner, I.; Schultz, G.J., Temporary negative ions and electron affinities of benzene and N-heterocyclic molecules: Pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine, J. Chem. Phys., 1975, 62, 1747. [all data]

Piancastelli, Keller, et al., 1983
Piancastelli, M.N.; Keller, P.R.; Taylor, J.W.; Grimm, F.A.; Carlson, T.A., Angular distribution parameter as a function of photon energy for some mono- and diazabenzenes and its use for orbital assignment, J. Am. Chem. Soc., 1983, 105, 4235. [all data]

Scheps, Florida, et al., 1972
Scheps, R.; Florida, D.; Rice, S.A., Comments on the Rydberg spectrum of pyrazine, J. Mol. Spectrosc., 1972, 44, 1. [all data]

Gleiter, Heilbronner, et al., 1972
Gleiter, R.; Heilbronner, E.; Hornung, V., Photoelectron spectra of azabenzenes azanaphthalenes: I. Pyridine, diazines s-triazine and s-tetrazine, Helv. Chim. Acta, 1972, 55, 255. [all data]

Asbrink, Lindholm, et al., 1970
Asbrink, L.; Lindholm, E.; Edqvist, O., Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene, Chem. Phys. Lett., 1970, 5, 609. [all data]

Eland, 1969
Eland, J.H.D., Photoelectron spectra of conjugated hydrocarbons and heteromolecules, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 471. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. II.The ionization potentials of azabenzenes and azanaphthalenes, J. Chem. Phys., 1969, 51, 263. [all data]

Yencha and El-Sayed, 1968
Yencha, A.J.; El-Sayed, M.A., Lowest ionization potentials of some nitrogen heterocyclics, J. Chem. Phys., 1968, 48, 3469. [all data]

Parkin and Innes, 1965
Parkin, J.E.; Innes, K.K., The vacuum ultraviolet spectra of pyrazine, pyrimidine, and pyridazine vapors. Part I. Spectra between 1550 A and 2000 A, J. Mol. Spectry., 1965, 15, 407. [all data]

Suffolk, 1974
Suffolk, R.J., The photoelectron spectra of the perfluorodiazines, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 53. [all data]

Gleiter, Heilbronner, et al., 1970
Gleiter, R.; Heilbronner, E.; Hornung, V., Lone pair interaction in pyridazine, pyrimidine, and pyrazine, Angew. Chem. Int. Ed. Engl., 1970, 9, 901. [all data]

Momigny, Urbain, et al., 1965
Momigny, J.; Urbain, J.; Wankenne, H., Les effets de l'impact electronique sur la pyridine et les diazines isomeres, Bull. Soc. Roy. Sci. Liege, 1965, 34, 337. [all data]

Halverson and Hirt, 1951
Halverson, F.; Hirt, R.C., J. Chem. Phys., 1951, 19, 711. [all data]

Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I., The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681 . [all data]

Zhuravleva, 2000
Zhuravleva, I.L., Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682 . [all data]

Golovnya, Kuz'menko, et al., 1999
Golovnya, R.V.; Kuz'menko, T.E.; Zhuravleva, I.L., Gas chromatographic indicator of the ability of five- and six-membered heterocyclic nitrogen-containing compounds for self-association in pure liquids, Russ. Chem. Bull. (Engl. Transl.), 1999, 48, 4, 726-729, https://doi.org/10.1007/BF02496256 . [all data]

Osmialowski, Halkiewicz, et al., 1985
Osmialowski, K.; Halkiewicz, J.; Radecki, A.; Kaliszan, R., Quantum chemical parameters in correlation analysis of gas-liquid chromatographic retention indices of amines, J. Chromatogr., 1985, 346, 53-60, https://doi.org/10.1016/S0021-9673(00)90493-X . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Reymond, Mueggler-Chavan, et al., 1966
Reymond, D.; Mueggler-Chavan, F.; Viani, R.; Vuataz, L.; Egli, R.H., Gas chromatographic analysis of steam volatile aroma constituents: application to coffee, tea and cocoa aromas, J. Gas Chromatogr., 1966, 4, 1, 28-31, https://doi.org/10.1093/chromsci/4.1.28 . [all data]

Viani, Müggler-Chavan, et al., 1965
Viani, R.; Müggler-Chavan, F.; Reymond, D.; Egli, R.H., 196. Sur la composition de l'arôme de café, Helv. Chim. Acta, 1965, 48, 195-196, 1809-1815, https://doi.org/10.1002/hlca.19650480743 . [all data]

Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R., Volatile constituents of used frying oils, J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m . [all data]

Shibamoto, Kamiya, et al., 1981
Shibamoto, T.; Kamiya, Y.; Mihara, S., Isolation and identification of volatile compounds in cooked meat: sukiyaki, J. Agric. Food Chem., 1981, 29, 1, 57-63, https://doi.org/10.1021/jf00103a015 . [all data]

Golovnya, Samusenko, et al., 1987
Golovnya, R.V.; Samusenko, A.L.; Dmitriev, L.B., Behavior of methyl-substituted pyrazines and use of the principle of nonadditive change in the sorption energy for prediction of the retention indices in capillary gas chromatography, Zh. Anal. Khim., 1987, 42, 4, 558-563. [all data]

Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T., Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method, J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045 . [all data]

Methven L., Tsoukka M., et al., 2007
Methven L.; Tsoukka M.; Oruna-Concha M.J.; Parker J.K.; Mottram D.S., Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar), J. Agric. Food Chem., 2007, 55, 4, 1427-1436, https://doi.org/10.1021/jf0625611 . [all data]

Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour, J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662 . [all data]

Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking, J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547 . [all data]

Ames, Guy, et al., 2001, 2
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems, J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E., Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork, J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0 . [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

DeMilo, Lee, et al., 1996
DeMilo, A.B.; Lee, C.-J.; Moreno, D.S.; Martinez, A.J., Identification of volatiles derived from Citrobacter freundii fermentation of a trypticase soy broth, J. Agric. Food Chem., 1996, 44, 2, 607-612, https://doi.org/10.1021/jf950525o . [all data]

Misharina and Golovnya, 1996
Misharina, T.A.; Golovnya, R.V., Study of the composition of volatiles in raw and processed sardine by gas chromatography and gas chromatography-mass spectrometry, Zh. Anal. Khim., 1996, 51, 7, 791-795. [all data]

Misharina, Golovnya, et al., 1994
Misharina, T.A.; Golovnya, R.V.; Strashnenko, E.S.; Medvedeva, I.B., Sorbtion-structural mass-spectrometric characteristics of volatile components of model systems and flavor compounds with meat odor, Zh. Anal. Khim., 1994, 49, 7, 722-728. [all data]

Oh, Hartman, et al., 1992
Oh, Y.-C.; Hartman, T.G.; Ho, C.-T., Volatile compounds generated from the Maillard reaction of pro-gly, gly-pro, and a mixture of glycine and proline with glucose, J. Agric. Food Chem., 1992, 40, 10, 1878-1880, https://doi.org/10.1021/jf00022a030 . [all data]

Zhang, Dorjpalam, et al., 1992
Zhang, Y.; Dorjpalam, B.; Ho, C.-T., Contribution of peptides to volatile formation in the Maillard reaction of casein hydrolysate with glucose, J. Agric. Food Chem., 1992, 40, 12, 2467-2471, https://doi.org/10.1021/jf00024a026 . [all data]

Golovnya, Samusenko, et al., 1991
Golovnya, R.V.; Samusenko, A.L.; Sagalovich, V.P., Prediction of retention indices for methyl-substituted pyrazines in capillary gas chromatography with linear programming, Zh. Anal. Khim., 1991, 46, 4, 727-735. [all data]

Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T., Isolation and identification of the volatile components of an extruded autolyzed yeast extract, J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Yakovleva, V.N.; Vitt, S.V., Pyrazines formed in model glycerin-water systems, Russ. Chem. Bull. (Engl. Transl.), 1991, 40, 9, 1742-1748, https://doi.org/10.1007/BF00960396 . [all data]

Oh, Shu, et al., 1991
Oh, Y.-C.; Shu, C.-K.; Ho, C.-T., Some volatile compounds formed from thermal interaction of glucose with glycine, diglycine, triglycine, and tetraglycine, J. Agric. Food Chem., 1991, 39, 9, 1553-1554, https://doi.org/10.1021/jf00009a003 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Lu, Hao, et al., 2005
Lu, C.-Y.; Hao, Z.; Payne, R.; Ho, C.-T., Effects of water content on volatile generation and peptide degradation in the Maillard reaction of glycine, diglycine, and triglycine, J. Agric. Food Chem., 2005, 53, 16, 6443-6447, https://doi.org/10.1021/jf050534p . [all data]

Elmore, Mottram, et al., 2000, 2
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., The effects of diet and breed on the volatile compounds of cooked lamb, Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0 . [all data]

Parker, Hassell, et al., 2000
Parker, J.K.; Hassell, G.M.E.; Mottram, D.S.; Guy, R.C.E., Sensory and instrumental analyses of volatiles generated during the extrusion cooking of oat flours, J. Agric. Food Chem., 2000, 48, 8, 3497-3506, https://doi.org/10.1021/jf991302r . [all data]

Elmore, Mottram, et al., 1999
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D., Effect of the polyunsaturated fatty acid composition of beef muscle on the profile of aroma volatiles, J. Agric. Food Chem., 1999, 47, 4, 1619-1625, https://doi.org/10.1021/jf980718m . [all data]

Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E., Aroma volatiles generated during extrusion cooking of maize flour, J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857 . [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

Lopez-Galilea I., Fournier N., et al., 2006
Lopez-Galilea I.; Fournier N.; Cid C.; Guichard E., Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure, J. Agric. Food Chem., 2006, 54, 22, 8560-8566, https://doi.org/10.1021/jf061178t . [all data]

Adamiec, Rossner, et al., 2001
Adamiec, J.; Rossner, J.; Velisek, J.; Cejpek, K.; Savel, J., Minor Strecker degradation products of phenylalanine and phenylglycine, Eur. Food Res. Technol., 2001, 212, 2, 135-140, https://doi.org/10.1007/s002170000234 . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Ranau, Kleeberg, et al., 2005
Ranau, R.; Kleeberg, K.K.; Schlegelmilch, M.; Streese, J.; Stegmann, R.; Steinhart, H., Analytical determination of the suitability of different processes for the treatment of odorous waste gas, Waste Management, 2005, 25, 9, 908-916, https://doi.org/10.1016/j.wasman.2005.07.004 . [all data]

Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H., Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry, Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4 . [all data]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [all data]

Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R., Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment, J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q . [all data]

Qi, Yang, et al., 2000
Qi, Y.; Yang, J.; Xu, L., correlation analysis of the structures and gas liquid chromatographic retention indices of amines, Chin. J. Anal. Chem., 2000, 28, 2, 223-227. [all data]

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

Shedid, 2010
Shedid, S., Chemical composition and antioxidant activity of Mallard reaction products generated from glutathione or Cysteine/glucose, World Appl. Sci. J., 2010, 9, 10, 1148-1154. [all data]

Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E., Latency and persistence of diet volatile biomarkers in lamb fats, J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q . [all data]

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [all data]

Fadel, Mageed, et al., 2006
Fadel, H.H.M.; Mageed, M.A.A.; Lotfy, S.N., Quality and flavour stability of coffee substitute prepared by extrusion of wheat germ and chicory roots, Amino Acids, 2006, https://doi.org/10.1007/s007260200008 . [all data]

Fadel, Mageed, et al., 2006, 2
Fadel, H.H.M.; Mageed, M.A.A.; Samad, A.K.M.E.A.; Lotfy, S.N., Cocoa substitute: Evaluation of sensory qualities and flavour stability, Eur. Food Res. Technol., 2006, 223, 1, 125-131, https://doi.org/10.1007/s00217-005-0162-3 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G., Characterization of traditional processing of pork meat into boucané, Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0 . [all data]

Chen and Ho, 1999
Chen, J.; Ho, C.-T., Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems, J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a . [all data]

Chen and Ho, 1998
Chen, J.; Ho, C.-T., Volatile compounds generated in serine-monosaccharide model systems, J. Agric. Food Chem., 1998, 46, 4, 1518-1522, https://doi.org/10.1021/jf970934f . [all data]

Chen and Ho, 1998, 2
Chen, J.; Ho, C.-T., Volatile compounds formed from thermal degradation of glucosamine in a dry system, J. Agric. Food Chem., 1998, 46, 5, 1971-1974, https://doi.org/10.1021/jf971021o . [all data]

Chen, Wang, et al., 1998
Chen, J.; Wang, M.; Ho, C.-T., Volatile compounds generated from thermal degradation of N-acetylglucosamine, J. Agric. Food Chem., 1998, 46, 8, 3207-3209, https://doi.org/10.1021/jf980129g . [all data]

Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T., Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds, J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t . [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Lu, Yu, et al., 1997
Lu, G.; Yu, T.-H.; Ho, C.-T., Generation of flavor compounds by the reaction of 2-deoxyglucose with selected amino acids, J. Agric. Food Chem., 1997, 45, 1, 233-236, https://doi.org/10.1021/jf960609c . [all data]

Robacker and Bartelt, 1997
Robacker, D.C.; Bartelt, R.J., Chemicals attractive to Mexican fruit fly from Klebsiella pneumoniae and Citrobacter freundii cultures sampled by solid-phase microextraction MICROEXTRACTION, J. Chem. Ecol., 1997, 23, 12, 2897-2915, https://doi.org/10.1023/A:1022579414233 . [all data]

Buttery and Ling, 1995
Buttery, R.G.; Ling, L.C., Volatile flavor components of corn tortillas and related products, J. Agric. Food Chem., 1995, 43, 7, 1878-1882, https://doi.org/10.1021/jf00055a023 . [all data]

Yu and Ho, 1995
Yu, T.-H.; Ho, C.-T., Volatile compounds generated from thermal reaction of methionine and methionine sulfoxide with or without glucose, J. Agric. Food Chem., 1995, 43, 6, 1641-1646, https://doi.org/10.1021/jf00054a043 . [all data]

Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C., Studies on flavor volatiles of some sweet corn products, J. Agric. Food Chem., 1994, 42, 3, 791-795, https://doi.org/10.1021/jf00039a038 . [all data]

Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032 . [all data]

Misharina, Golovnya, et al., 1991, 2
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Mihara and Masuda, 1987
Mihara, S.; Masuda, H., Correlation between molecular structures and retention indices of pyrazines, J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8 . [all data]

Masuda and Mihara, 1986
Masuda, H.; Mihara, S., Use of modified molecular connectivity indices to predict retention indices of monosubstituted alkyl, alkoxy, alkylthio, phenoxy and (phenylthio)pyrazines, J. Chromatogr., 1986, 366, 373-377, https://doi.org/10.1016/S0021-9673(01)93485-5 . [all data]

Mihara and Enomoto, 1985
Mihara, S.; Enomoto, N., Calculation of retention indices of pyrazines on the basis of molecular structure, J. Chromatogr., 1985, 324, 428-430, https://doi.org/10.1016/S0021-9673(01)81342-X . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats, J. Agric. Food Chem., 1981, 29, 5, 1093-1095, https://doi.org/10.1021/jf00107a051 . [all data]

Wan Aida, Ho, et al., 2008
Wan Aida, W.M.; Ho, C.W.; Maskat, M.Y.; Osman, H., Relating descriptive sensory analysis to gas chromatography / mass spectrometry of palm sugars using partial least squares regression, ASEAN Food J., 2008, 15, 1, 35-45. [all data]

Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007
Characterization of Pyrazines in Some Chinese Liquors; Their Approximate Concentrations, W. Fan; Y. Xu; Y. Zhang, J. Agric. Food Chem., 2007, 55, 9956-9962. [all data]

Ho, Wan Aida, et al., 2007
Ho, C.W.; Wan Aida, W.M.; Maskat, M.Y.; Osman, H., Changes in volatile compounds of palm sap (Arenga pinnata) during the heating process for production of palm sugar, Food Chem., 2007, 102, 4, 1156-1162, https://doi.org/10.1016/j.foodchem.2006.07.004 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Machiels and Istasse, 2003
Machiels, D.; Istasse, L., Evaluation of two commercial solid-phase microextraction fibres for the analysis of target aroma compounds in cooked beef meat, Talanta, 2003, 61, 4, 529-537, https://doi.org/10.1016/S0039-9140(03)00319-9 . [all data]

Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L., Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats, Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4 . [all data]

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Didzbalis and Ho, 2001
Didzbalis, J.; Ho, C.-T., Analysis of low molecular weight aldehydes formed during the Mallard reaction, ACS Symposium Series, 2001, 794, 196-107. [all data]

Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M., Volatile compounds in chorizo and their changes during ripening, Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S., Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink), Int. Food Res. J., 2012, 19, 2, 583-588. [all data]

Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W., HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews, Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]

Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T., Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid, J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148 . [all data]

Moon and Shibamoto, 2009
Moon, J.-K.; Shibamoto, T., Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans, J. Agric. Food Chem., 2009, 57, 13, 5823-5831, https://doi.org/10.1021/jf901136e . [all data]

Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A., A new aroma index to determine the aroma quality of roasted and ground coffee during storage, Food Technol. Biotechnol., 2008, 46, 4, 442-447. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Fujioka and Shibamoto, 2006
Fujioka, K.; Shibamoto, T., Quantitation of volatiles and nonvolatile acids in an extract from coffee beverages: correlation with antioxidant activity, J. Agric. Food Chem., 2006, 54, 16, 6054-6058, https://doi.org/10.1021/jf060460x . [all data]

Osada and Shibamoto, 2006
Osada, Y.; Shibamoto, T., Antioxidative activity of volatile extracts from Maillard model systems, Food Chem., 2006, 98, 3, 522-528, https://doi.org/10.1016/j.foodchem.2005.05.084 . [all data]

Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K., Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography, Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278 . [all data]

Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C., Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar, J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110 . [all data]

Maeztu, Sanz, et al., 2001
Maeztu, L.; Sanz, C.; Andueza, S.; de Peña, M.P.; Bello, J.; Cid, C., Characterization of espresso coffee aroma by static headspace GC-MS and sensory flavor profile, J. Agric. Food Chem., 2001, 49, 11, 5437-5444, https://doi.org/10.1021/jf0107959 . [all data]

Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C., Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee, J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r . [all data]

Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y., Volatile flavor components of rice cakes, J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w . [all data]

Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M., Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis, Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587 . [all data]

Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C., Additional studies on flavor components of corn tortilla chips, J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b . [all data]

Kubota, Nakamoto, et al., 1991
Kubota, K.; Nakamoto, A.; Moriguchi, M.; Kobayashi, A.; Ishii, H., Formation of pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine in the volatiles of boiled short-necked clam, clam, and corbicula, J. Agric. Food Chem., 1991, 39, 6, 1127-1130, https://doi.org/10.1021/jf00006a027 . [all data]

Wong and Bernhard, 1988
Wong, J.M.; Bernhard, R.A., Effect of nitrogen source on pyrazine formation, J. Agric. Food Chem., 1988, 36, 1, 123-129, https://doi.org/10.1021/jf00079a032 . [all data]

Liardon and Ledermann, 1980
Liardon, R.; Ledermann, S., volatile components of fermented soya hydrolysate. II. Composition of basic fraction, Z. Lebensm. Unters. Forsch., 1980, 170, 3, 208-213, https://doi.org/10.1007/BF01042542 . [all data]

Shibamoto and Russell, 1977
Shibamoto, T.; Russell, G.F., A study of the volatiles isolated from a D-glucose-hydrogen sulfide-ammonia model system, J. Agric. Food Chem., 1977, 25, 1, 109-112, https://doi.org/10.1021/jf60209a054 . [all data]

Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S., Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee., J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004 . [all data]

Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G., Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax, Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040 . [all data]

Ito and Mori, 2004
Ito, K.; Mori, M., Formation of pyrazines in aqueous maltose/glucose/fructose-glutamide model systems upon heating at below 100 0C, Food Sci. Technol. Res., 2004, 10, 2, 199-204, https://doi.org/10.3136/fstr.10.199 . [all data]

Muresan, Eillebrecht, et al., 2000
Muresan, S.; Eillebrecht, M.A.J.L.; de Rijk, T.C.; de Jonge, H.G.; Leguijt, T.; Nijhuis, H.H., Aroma profile development of intermediate chocolate products. I. Volatile constituents of block-milk, Food Chem., 2000, 68, 2, 167-174, https://doi.org/10.1016/S0308-8146(99)00171-5 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, NIST Free Links, References